7YJB

Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and Eriodictyol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 2 21 21
Unit cell lengths	66.241, 72.507, 83.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.607 - 2.000
R-factor	0.1779
Rwork	0.175
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vey
RMSD bond length	0.015
RMSD bond angle	1.580
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.610	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	24993	1709
<I/σ(I)>	16.6
Completeness [%]	90.1
Redundancy	12.4
CC(1/2)	0.988	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium chloride, 0.1 M HEPES pH 7.5, 25 % w/v PEG 3350